SCHEMBL2557701

SCHEMBL2557701

COc1ccc(OCC(=O)NC(C)C)c(C=O)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.78
RAB9A P51151 2/20 0.78
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 9/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ERN1 O75460 1/20 0.46
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
BACE1 P56817 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2556062 0.90 RAB9A (0.63) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29953963 0.89 KDM4E (0.80) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15332042 0.89 KDM4E (0.62) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2554953 0.85 KDM4E (0.71) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15331114 0.85 KDM4E (0.67) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29952430 0.83 RAB9A (0.72) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2560314 0.83 SMN1; SMN2 (0.71) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8121860 0.82 KDM4E (0.67) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15330191 0.82 KDM4E (0.67) KDM4ERAB9AALDH1A1MAPTMEN1
SCHEMBL2561823 0.82 RAB9A (0.67) KDM4ERAB9ASMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed